Geometry & MOs

Info

ID:

300464

PubChem CID:

121285144

Reduced:

ClN4O12C41H55 (1)

Stoich.:

AB4C12D41E55 (1)

Weight, g/mol:

410.220557

ΔHf, kcal/mol:

-519.86

Dipole, Da:

9.2

IP(EA), eV:

 -9.28(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(4-ethylpiperazine-1-carbonyl)hex-1-enyl]-3-methoxynaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC1CC(=O)N(C1=O)CCCC(=O)N(C)[C@@H](C)C(=O)OC2CC(=O)N(C3=CC(=CC(=C3Cl)CO)C/C(=C/C=C/C(C4(CC(C(C5C2(O5)C)C)OC(=O)N4)O)CO)/C)C

DOS

IR

Vibrations